SCHEMBL3974571

SCHEMBL3974571

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)ccc1OC(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 3/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 3/20 0.35
KCNH2 Q12809 1/20 0.35
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ALPG P10696 1/20 0.33
MBTPS1 Q14703 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3979346 0.91 REN (0.43) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3976342 0.88 SSTR5 (0.38) RENALDH1A1HTTSMN1; SMN2HTR2A
SCHEMBL3970195 0.88 SLC6A2 (0.37) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3970400 0.87 SLC6A9 (0.37) RENALDH1A1HTTSMN1; SMN2HTR2A
SCHEMBL3977977 0.87 SSTR5 (0.38) RENALDH1A1HTTSMN1; SMN2SLC6A2
SCHEMBL3969424 0.86 ALOX15 (0.43) RENALDH1A1HTR2ASLC6A2SLC6A4
SCHEMBL3930518 0.86 TACR1 (0.36) RENALDH1A1HTTSMN1; SMN2HTR2A
SCHEMBL3978589 0.85 REN (0.46) RENALDH1A1SMN1; SMN2SLC6A2SLC6A4
SCHEMBL3973459 0.84 TRPC6 (0.34) RENALDH1A1HTTHTR2ASLC6A2
SCHEMBL3977643 0.84 SSTR5 (0.35) RENALDH1A1SMN1; SMN2SLC6A2SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 US claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 REN 330/4885ALDH1A1 2244/4885HTT 1675/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.